[(E)-2-bromo-1-fluoroethenyl]sulfanylbenzene

C8H6BrFS — CID 14929173

IUPAC[(E)-2-bromo-1-fluoroethenyl]sulfanylbenzene
SMILESF/C(=C\Br)Sc1ccccc1
InChIInChI=1S/C8H6BrFS/c9-6-8(10)11-7-4-2-1-3-5-7/h1-6H/b8-6+
InChIKeyFODBRVWLMMGPCC-SOFGYWHQSA-N
MW233.11 g/mol
LogP3.94
Rot. Bonds2

About [(E)-2-bromo-1-fluoroethenyl]sulfanylbenzene

[(E)-2-bromo-1-fluoroethenyl]sulfanylbenzene (PubChem CID 14929173) has the molecular formula C8H6BrFS and a molecular weight of 233.11 g/mol. Its IUPAC name is [(E)-2-bromo-1-fluoroethenyl]sulfanylbenzene.

Molecular Properties

Compound Name[(E)-2-bromo-1-fluoroethenyl]sulfanylbenzene
PubChem CID14929173
Molecular FormulaC8H6BrFS
Molecular Weight233.11 g/mol
Exact Mass231.94
IUPAC Name[(E)-2-bromo-1-fluoroethenyl]sulfanylbenzene
SMILESF/C(=C\Br)Sc1ccccc1
InChIInChI=1S/C8H6BrFS/c9-6-8(10)11-7-4-2-1-3-5-7/h1-6H/b8-6+
InChIKeyFODBRVWLMMGPCC-SOFGYWHQSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-bromo-1-fluoroethenyl]sulfanylbenzene?
The IUPAC name of [(E)-2-bromo-1-fluoroethenyl]sulfanylbenzene (CID 14929173) is [(E)-2-bromo-1-fluoroethenyl]sulfanylbenzene.
What is the SMILES notation for [(E)-2-bromo-1-fluoroethenyl]sulfanylbenzene?
The canonical SMILES for [(E)-2-bromo-1-fluoroethenyl]sulfanylbenzene is F/C(=C\Br)Sc1ccccc1.
What is the InChIKey of [(E)-2-bromo-1-fluoroethenyl]sulfanylbenzene?
The InChIKey is FODBRVWLMMGPCC-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H6BrFS/c9-6-8(10)11-7-4-2-1-3-5-7/h1-6H/b8-6+.
What are the key properties of [(E)-2-bromo-1-fluoroethenyl]sulfanylbenzene?
[(E)-2-bromo-1-fluoroethenyl]sulfanylbenzene has a molecular weight of 233.11 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-bromo-1-fluoroethenyl]sulfanylbenzene is sourced from PubChem (CID 14929173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).